Compound Detail
CHEMBL154255
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Basic Information
| ChEMBL ID | CHEMBL154255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COAUQMNDFOCIAR-IMWIMMFESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.49
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.15 | 7.15 | 71.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 6.27 | 6.27 | 540.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 71.0 | nM | 7.15 | Displacement of [3H]U-69593 from Opioid receptor kappa 1 of guinea pig brain mem... | 11266156 |
| Mu-type opioid receptor | Ki | = | 540.0 | nM | 6.27 | Displacement of [3H]DAMGO from Opioid receptor mu 1 of guinea pig brain membrane... | 11266156 |
| Delta-type opioid receptor | Ki | = | 2700.0 | nM | 5.57 | Displacement of [3H]naltrindole from Opioid receptor delta 1 of guinea pig brain... | 11266156 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266156 | 10.1016/s0960-894x(01)00014-2 | Mu-type opioid receptor | 1 |
| 11266156 | 10.1016/s0960-894x(01)00014-2 | Delta-type opioid receptor | 1 |
| 11266156 | 10.1016/s0960-894x(01)00014-2 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine